NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.3186 8.2649 123.5821 52.1359 18.9733 175.7057
  2     I  4.2923 8.1815 122.6526 59.1993 39.3530 173.8300
  3     L  4.6551 8.5868 126.0943 53.1435 45.4013 174.8376
  4     S  4.6593 8.7047 120.1857 56.3363 64.4883 172.9214
  5     S  4.5182 8.6002 121.3169 56.8141 64.3465 173.4827
  6     T  4.2127 8.4295 117.0733 61.8308 68.6794 173.6691

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1     A  8.26 4.32 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     I  8.18 4.29 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.91 0.00 0.00 
  3     L  8.59 4.66 0.00 1.52 1.50 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 
  4     S  8.70 4.66 0.00 3.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     S  8.60 4.52 0.00 3.80 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     T  8.43 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00